Basic information
- CAS
16185-12-9- Standard SMILES
CN1CCN(C2Cc3ccccc3Sc3ccc(S(C)(=O)=O)cc32)CC1- InChIKey
HCROLNHTLUQIOD-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S2
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.12792036
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-
- IUPAC
- 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
- English name
- 1-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl piperazine
- Molecular formula
- C20H24N2O2S2
- Molecular weight
- 388.55
Names & synonyms
16185-12-9Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-RefChem:10957301-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazineBRN 05800051-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazineDTXSID709366051-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl piperazine1-[8-(Methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazinePiperazine, 1-[10,11-dihydro-8-(methylsulfonyl)dibenzo[b,f]thiepin-10-yl]-4-methyl-
Database identifiers
- CAS
16185-12-9- PubChem CID
- 89207
- DTXSID
DTXSID70936605- Nikkaji
- J117.776A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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